Vitas-M small molecule compound
2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL103899
SMILES CC(CCn1c(SCC(=O)Nc2ccc(cc2)C(F)(F)F)nc2c(c1=O)[nH]c(c2)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H23F3N4O2S MW 452.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N4O2S/c1-12(2)8-9-28-19(30)18-16(10-13(3)25-18)27-20(28)31-11-17(29)26-15-6-4-14(5-7-15)21(22,23)24/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,26,29)InChIKey
DSBLDDSGAPWFFR-UHFFFAOYSA-NSynonyms
2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4(trifluoromethyl)phenyl)acetamide
2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4(trifluoromethyl)phenyl)acetamide
CC(CCn1c(SCC(=O)Nc2ccc(cc2)C(F)(F)F)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(F)(F)F)CCC(C)C
InChI=1SC21H23F3N4O2Sc112(2)892819(30)1816(1013(3)2518)2720(28)311117(29)26156414(5715)21(2223)24h47101225H8911H213H3(H2629)
MFCD20735501
ZINC000067238232
ZINC67238232
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